Geometry & MOs

Info

ID:

399761

PubChem CID:

135042372

Reduced:

N2O2C11H21 (1)

Stoich.:

A2B2C11D21 (1)

Weight, g/mol:

243.045092

ΔHf, kcal/mol:

-66.64

Dipole, Da:

3.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.815507

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-8-methyl-5H-phenanthridin-6-one

Drug info:

PubChemData

Smile

CCCCN1C=C[N+](=C1COCOC)C

DOS

IR

Vibrations